SCHEMBL17799202

SCHEMBL17799202

COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc(I)c1OC

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 13/20 0.76
▸ POLB P06746 8/20 0.76
▸ MEN1 O00255 6/20 0.76
▸ KMT2A Q03164 6/20 0.76
▸ USP2 O75604 2/20 0.76
▸ TNNI3 P19429 1/20 0.76
▸ TNNT2 P45379 1/20 0.76
▸ RECQL P46063 1/20 0.76
▸ TNNC1 P63316 1/20 0.76
▸ MCOLN3 Q8TDD5 1/20 0.76
▸ RAB9A P51151 4/20 0.70
▸ NPC1 O15118 2/20 0.70
▸ PKM P14618 1/20 0.67
▸ SMN1; SMN2 Q16637 6/20 0.66
▸ KDM4E B2RXH2 6/20 0.66
▸ ALDH1A1 P00352 5/20 0.66
▸ NPSR1 Q6W5P4 2/20 0.66
▸ RXFP1 Q9HBX9 1/20 0.65
▸ TP53 P04637 4/20 0.61
▸ THRB P10828 1/20 0.58

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17799204 1.00 MAPT (0.76) MAPTPOLBMEN1KMT2AUSP2
SCHEMBL12351294 0.93 MAPT (0.83) MAPTPOLBMEN1KMT2AUSP2
SCHEMBL5594542 0.86 MAPT (1.00) MAPTPOLBMEN1KMT2AUSP2
SCHEMBL10476363 0.82 MEN1 (1.00) MAPTPOLBMEN1KMT2AUSP2
SCHEMBL14749136 0.82 MAPT (0.76) MAPTPOLBMEN1KMT2AUSP2
SCHEMBL14476502 0.82 MAPT (0.86) MAPTPOLBMEN1KMT2AUSP2
SCHEMBL10476364 0.78 MAPT (0.82) MAPTPOLBMEN1KMT2AUSP2
SCHEMBL27983596 0.78 MAPT (0.78) MAPTPOLBMEN1KMT2AUSP2
SCHEMBL5594436 0.77 MAPT (0.72) MAPTPOLBMEN1KMT2AUSP2
SCHEMBL27983608 0.76 MAPT (0.82) MAPTPOLBMEN1KMT2AUSP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200087648-A1 PARKIN LIGASE ACTIVATION METHODS AND COMPOSITIONS NYSNOBIO IRELAND DAC (IE) 2020-03-19 — — US disclosed
US-10155936-B2 Parkin ligase activation methods and compositions An2H Discovery Limited (IE) 2018-12-18 — — US disclosed
US-20160160205-A1 PARKIN LIGASE ACTIVATION METHODS AND COMPOSITIONS An2H Discovery Limited (IE) 2016-06-09 — — US disclosed
US-20160160205-A1 PARKIN LIGASE ACTIVATION METHODS AND COMPOSITIONS An2H Discovery Limited (IE) 2016-06-09 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10155936-B2 Parkin ligase activation methods and compositions PINK1, XIAP, STUB1 MAPT 1156/4885POLB 611/4885MEN1 4544/4885
US-20200087648-A1 PARKIN LIGASE ACTIVATION METHODS AND COMPOSITIONS PINK1, XIAP, STUB1 MAPT 1156/4885POLB 611/4885MEN1 4544/4885
US-20160160205-A1 PARKIN LIGASE ACTIVATION METHODS AND COMPOSITIONS PINK1, XIAP, STUB1 MAPT 1156/4885POLB 611/4885MEN1 4544/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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